ethyl 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3)C(=O)OCC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3)C(=O)OCC)CO)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-3-5-6-18-22-19(21)15(12-24)23(18)11-13-7-8-16-14(9-13)10-17(27-16)20(25)26-4-2/h7-10,24H,3-6,11-12H2,1-2H3